tert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate

C17H29N3O2 — CID 23557496

IUPACtert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate
SMILESCCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)n(CC)n1
InChIInChI=1S/C17H29N3O2/c1-6-14-12-15(20(7-2)18-14)13-8-10-19(11-9-13)16(21)22-17(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyYMRFVFYCJRIRCH-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.58
Rot. Bonds3

About tert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate

tert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate (PubChem CID 23557496) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is tert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate
PubChem CID23557496
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Nametert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate
SMILESCCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)n(CC)n1
InChIInChI=1S/C17H29N3O2/c1-6-14-12-15(20(7-2)18-14)13-8-10-19(11-9-13)16(21)22-17(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyYMRFVFYCJRIRCH-UHFFFAOYSA-N
XLogP3.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US10030012, Example 79
CID 78318386
1-(4-{5-[(Dimethylamino)methyl]-1-methylpyrazol-3-YL}piperidin-1-YL)-2-methoxy-2-methylpropan-1-one
CID 92624521
tert-butyl (1R,5S)-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 90292731
tert-Butyl 4-(1-methyl-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 91604925
(2S)-1-{4-[3,5-di(propan-2-yl)-1H-pyrazol-1-yl]piperidin-1-yl}-1-oxopropan-2-yl acetate
CID 83279404
1-[4-[5-[(Dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one;hydrochloride
CID 118741629
1-tert-Butoxycarbonyl-4-(2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-(2H)-indazol-3-yl)piperidine
CID 21912773
1-[4-(1,3-Diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 23557459
Tert-butyl 4-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 69448948
Tert-butyl 4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 71226605
tert-Butyl 4-(3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 90241365
tert-butyl 4-(1-(3,3-difluorocyclopentyl)-3-iodo-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 90292736

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate (CID 23557496) is tert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate is CCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)n(CC)n1.
What is the InChIKey of tert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate?
The InChIKey is YMRFVFYCJRIRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-6-14-12-15(20(7-2)18-14)13-8-10-19(11-9-13)16(21)22-17(3,4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate has a molecular weight of 307.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,3-diethylpyrazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23557496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).